N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine

C14H22N2 — CID 28646598

IUPACN-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
SMILESC[C@@H](NC1CCCCCC1)c1ccncc1
InChIInChI=1S/C14H22N2/c1-12(13-8-10-15-11-9-13)16-14-6-4-2-3-5-7-14/h8-12,14,16H,2-7H2,1H3/t12-/m1/s1
InChIKeyXDTGZIXQXSMZDW-GFCCVEGCSA-N
MW218.34 g/mol
LogP3.45
Rot. Bonds3

About N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine

N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine (PubChem CID 28646598) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
PubChem CID28646598
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
SMILESC[C@@H](NC1CCCCCC1)c1ccncc1
InChIInChI=1S/C14H22N2/c1-12(13-8-10-15-11-9-13)16-14-6-4-2-3-5-7-14/h8-12,14,16H,2-7H2,1H3/t12-/m1/s1
InChIKeyXDTGZIXQXSMZDW-GFCCVEGCSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
N-(1-phenylethyl)cyclododecanamine
CID 60662638
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
CID 65072495
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
N-(2-methyl-1-pyridin-4-ylpropyl)cyclopentanamine
CID 115720159
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine?
The IUPAC name of N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine (CID 28646598) is N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine.
What is the SMILES notation for N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine?
The canonical SMILES for N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine is C[C@@H](NC1CCCCCC1)c1ccncc1.
What is the InChIKey of N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine?
The InChIKey is XDTGZIXQXSMZDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(13-8-10-15-11-9-13)16-14-6-4-2-3-5-7-14/h8-12,14,16H,2-7H2,1H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine?
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine has a molecular weight of 218.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine is sourced from PubChem (CID 28646598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).